Geometry & MOs

Info

ID:	445957
PubChem CID:	135270022
Reduced:	O3N6H24C26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	478.269239
ΔH_f, kcal/mol:	44.95
Dipole, Da:	3.15
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-amino-5-[5-(2-ethoxyphenyl)-3,4-dimethyl-1,3,4-oxadiazolidin-2-yl]-1-methyl-2H-pyrazin-3-yl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1[C@@H]2N(N=C(O2)C3=CC=CC=C3)C)C4=C(C=C(C=C4)C(=O)N(C)C)C5=CN=CO5

DOS

IR

Vibrations